Chemical Properties of Dioxybenzone (CAS 131-53-3)

InChI

InChI=1S/C14H12O4/c1-18-9-6-7-11(13(16)8-9)14(17)10-4-2-3-5-12(10)15/h2-8,15-16H,1H3

InChI Key

MEZZCSHVIGVWFI-UHFFFAOYSA-N

Formula

C14H12O4

SMILES

COc1ccc(C(=O)c2ccccc2O)c(O)c1

Molecular Weight¹

244.24

CAS

131-53-3

Other Names

• Methanone, (2-hydroxy-4-methoxyphenyl)(2-hydroxyphenyl)-
• Benzophenone, 2,2'-dihydroxy-4-methoxy-
• Advastab 47
• Cyasorb UV 24
• Cyasorb UV 24 Light Absorber
• Dioxybenzon
• Spectra-Sorb UV 24
• UF 2
• UV 24
• 2,2'-Dihydroxy-4-Methoxybenzophenone
• Benzophenone-8
• (2-Hydroxy-4-methoxyphenyl)(2-hydroxyphenyl)methanone
• NSC-56769
• Spectro-Sorb UV 24

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[505.87; 572.48]	J/mol×K	[815.59; 1072.05]
Cp,gas	505.87	J/mol×K	815.59	Joback Calculated Property
Cp,gas	517.54	J/mol×K	858.33	Joback Calculated Property
Cp,gas	528.74	J/mol×K	901.08	Joback Calculated Property
Cp,gas	539.66	J/mol×K	943.82	Joback Calculated Property
Cp,gas	550.47	J/mol×K	986.56	Joback Calculated Property
Cp,gas	561.35	J/mol×K	1029.30	Joback Calculated Property
Cp,gas	572.48	J/mol×K	1072.05	Joback Calculated Property
η	[0.0000005; 0.0000094]	Pa×s	[608.50; 815.59]
η	0.0000094	Pa×s	608.50	Joback Calculated Property
η	0.0000051	Pa×s	643.01	Joback Calculated Property
η	0.0000029	Pa×s	677.53	Joback Calculated Property
η	0.0000017	Pa×s	712.05	Joback Calculated Property
η	0.0000011	Pa×s	746.56	Joback Calculated Property
η	0.0000007	Pa×s	781.08	Joback Calculated Property
η	0.0000005	Pa×s	815.59	Joback Calculated Property
ΔfusH	[22.00; 35.60]	kJ/mol	[343.00; 436.80]
ΔfusH	22.00	kJ/mol	343.00	NIST
ΔfusH	35.60	kJ/mol	436.80	NIST
ΔsubH	228.00	kJ/mol	322.50	NIST
ΔvapH	75.60	kJ/mol	411.50	NIST

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Dioxybenzone.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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